Summary

IMPPAT Phytochemical identifier: IMPHY002931

Phytochemical name: 4-Methoxyphenanthrene-2,3,5-triol

Synonymous chemical names:
fimbriol b

External chemical identifiers:
CID:23900101, ChEMBL:CHEMBL254188

---

Chemical structure information

SMILES:
COc1c(O)c(O)cc2c1c1c(O)cccc1cc2

InChI:
InChI=1S/C15H12O4/c1-19-15-13-9(7-11(17)14(15)18)6-5-8-3-2-4-10(16)12(8)13/h2-7,16-18H,1H3

InChIKey:
XXYVUERYPGSDCY-UHFFFAOYSA-N

DeepSMILES:
COccO)cO)ccc6ccO)cccc6cc%10

Functional groups:
cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)ccc1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

ClassyFire Subclass: Phenanthrols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: 1.267

---

Chemical structure download